7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

C15H14ClFN4O — CID 134564624

IUPAC7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)c(F)c1
InChIInChI=1S/C15H14ClFN4O/c1-4-22-10-5-6-12(11(17)7-10)21-9(3)13-8(2)18-19-15(16)14(13)20-21/h5-7H,4H2,1-3H3
InChIKeyOBLTVVGZFJTJPY-UHFFFAOYSA-N
MW320.76 g/mol
LogP3.62
Rot. Bonds3

About 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine

7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 134564624) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID134564624
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)c(F)c1
InChIInChI=1S/C15H14ClFN4O/c1-4-22-10-5-6-12(11(17)7-10)21-9(3)13-8(2)18-19-15(16)14(13)20-21/h5-7H,4H2,1-3H3
InChIKeyOBLTVVGZFJTJPY-UHFFFAOYSA-N
XLogP3.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine (CID 134564624) is 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is CCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)c(F)c1.
What is the InChIKey of 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is OBLTVVGZFJTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c1-4-22-10-5-6-12(11(17)7-10)21-9(3)13-8(2)18-19-15(16)14(13)20-21/h5-7H,4H2,1-3H3.
What are the key properties of 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine?
7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 320.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 134564624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).